3,6-dimethyl-3-propan-2-yl-4H-pyridine

C10H17N — CID 154950995

IUPAC3,6-dimethyl-3-propan-2-yl-4H-pyridine
SMILESCC1=CCC(C)(C(C)C)C=N1
InChIInChI=1S/C10H17N/c1-8(2)10(4)6-5-9(3)11-7-10/h5,7-8H,6H2,1-4H3
InChIKeyNSXAHOAFIMAGLA-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds1

About 3,6-dimethyl-3-propan-2-yl-4H-pyridine

3,6-dimethyl-3-propan-2-yl-4H-pyridine (PubChem CID 154950995) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,6-dimethyl-3-propan-2-yl-4H-pyridine.

Molecular Properties

Compound Name3,6-dimethyl-3-propan-2-yl-4H-pyridine
PubChem CID154950995
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,6-dimethyl-3-propan-2-yl-4H-pyridine
SMILESCC1=CCC(C)(C(C)C)C=N1
InChIInChI=1S/C10H17N/c1-8(2)10(4)6-5-9(3)11-7-10/h5,7-8H,6H2,1-4H3
InChIKeyNSXAHOAFIMAGLA-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3-propan-2-yl-4H-pyridine?
The IUPAC name of 3,6-dimethyl-3-propan-2-yl-4H-pyridine (CID 154950995) is 3,6-dimethyl-3-propan-2-yl-4H-pyridine.
What is the SMILES notation for 3,6-dimethyl-3-propan-2-yl-4H-pyridine?
The canonical SMILES for 3,6-dimethyl-3-propan-2-yl-4H-pyridine is CC1=CCC(C)(C(C)C)C=N1.
What is the InChIKey of 3,6-dimethyl-3-propan-2-yl-4H-pyridine?
The InChIKey is NSXAHOAFIMAGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10(4)6-5-9(3)11-7-10/h5,7-8H,6H2,1-4H3.
What are the key properties of 3,6-dimethyl-3-propan-2-yl-4H-pyridine?
3,6-dimethyl-3-propan-2-yl-4H-pyridine has a molecular weight of 151.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-propan-2-yl-4H-pyridine is sourced from PubChem (CID 154950995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).